ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate

C11H11NO2S2 — CID 61385398

IUPACethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C11H11NO2S2/c1-3-14-11(13)10-12-9(7(2)16-10)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyVHPRSWLISKOXBZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.36
Rot. Bonds3

About ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate

ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate (PubChem CID 61385398) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
PubChem CID61385398
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Nameethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C11H11NO2S2/c1-3-14-11(13)10-12-9(7(2)16-10)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyVHPRSWLISKOXBZ-UHFFFAOYSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
CID 61334161
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine
CID 61334911
ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
CID 15691762
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
diethyl 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylate
CID 44556988
ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 102324722

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate (CID 61385398) is ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2cccs2)c(C)s1.
What is the InChIKey of ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
The InChIKey is VHPRSWLISKOXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-3-14-11(13)10-12-9(7(2)16-10)8-5-4-6-15-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 61385398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).